2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone

C14H20N2O2 — CID 56828695

IUPAC2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CN2CCC(N)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-13-4-2-3-11(9-13)14(17)10-16-7-5-12(15)6-8-16/h2-4,9,12H,5-8,10,15H2,1H3
InChIKeyOTVOAPLDYCBAMK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.30
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone

2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone (PubChem CID 56828695) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
PubChem CID56828695
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CN2CCC(N)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-13-4-2-3-11(9-13)14(17)10-16-7-5-12(15)6-8-16/h2-4,9,12H,5-8,10,15H2,1H3
InChIKeyOTVOAPLDYCBAMK-UHFFFAOYSA-N
XLogP1.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 121200257
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
4-[2-(3-methoxyphenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82121920
2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56829037
N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220971
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone
CID 114607681
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110368800
(E)-but-2-enedioic acid;2-[[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 21078051
3-[2-(3-methoxyphenyl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835683

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone (CID 56828695) is 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)CN2CCC(N)CC2)c1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone?
The InChIKey is OTVOAPLDYCBAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13-4-2-3-11(9-13)14(17)10-16-7-5-12(15)6-8-16/h2-4,9,12H,5-8,10,15H2,1H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone?
2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 56828695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).